Bonding nature of monomeric H2O on Pd: Orbital cooperation and competition

Journal of Physical Chemistry C

Volumn 113, Issue 5, 2009, Pages 1931-1938

  Jibiao, Li ^a   Shenglong, Zhu ^a   Hong, Li ^b   Oguzie, Emeka E ^c   Ying, Li ^a   Fuhui, Wang ^a  

^a INSTITUTE OF METAL RESEARCH   (China)

^b INSTITUTE OF METAL RESEARCH   (China)

^c FEDERAL UNIVERSITY OF TECHNOLOGY   (Nigeria)

Author keywords

[No Author keywords available]

Indexed keywords

ANTI-BONDING STATE; BAND ENERGIES; BONDING MECHANISMS; BONDING NATURES; BONDING STATE; D-BAND CENTERS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIVERGENCY; ELECTROSTATIC ATTRACTIONS; ENERGY RESONANCES; HIGH ENERGIES; LONE PAIRS; LOW ENERGIES; PAULI REPULSIONS; SUBSTRATE LAYERS; SURFACE SYMMETRIES; WATER ADSORPTIONS;

ADSORPTION; COMPETITION; DENSITY FUNCTIONAL THEORY; RESONANCE;

PALLADIUM;

EID: 65349091389     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp809595y     Document Type: Article

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